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Ground state and critical behavior of a core/shell kekulene-like structure by Monte Carlo study
Solid State Communications ( IF 2.1 ) Pub Date : 2021-01-12 , DOI: 10.1016/j.ssc.2021.114185
N. EL Mekkaoui , I. EL Housni , S. Mtougui , H. Labrim , R. Khalladi , S. Idrissi , S. Ziti , L. Bahmad

In this paper, we inspect the magnetic properties of a core/shell Kekulene-like structure consisting of mixed spins (σ = 2; S = 1), by means of Monte Carlo simulations. Firstly, we carry out an analysis of the ground state phase diagrams to determine all probable and stable configurations depending on the minimization of the energies of the system. Furthermore, the magnetizations and susceptibilities as a function of temperature (Ghosh Chaudhuri and Paria, 2012) [1] are obtained with the effect of the crystal field and the exchange coupling interactions of the system. To conclude, we discuss the hysteresis loops as a function of the external magnetic field.



中文翻译:

蒙特卡洛研究的核/壳类可可烯结构的基态和临界行为

在本文中,我们通过蒙特卡洛模拟研究了由混合自旋(σ= 2; S = 1)组成的核/壳类似Kekulene的结构的磁性能。首先,我们对基态相图进行分析,以确定所有可能且稳定的配置,具体取决于系统能量的最小化。此外,磁化率和磁化率随温度的变化而变化(Ghosh Chaudhuri和Paria,2012)[1]是受晶体场和系统交换耦合相互作用的影响而获得的。总而言之,我们讨论了磁滞回线与外部磁场的关系。

更新日期:2021-01-18
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